Bis[O-propyl N'-(2-thienylcarbon­yl)thio­carbamato]nickel(II)

In the title compound, [Ni(C₉H₁₀NO₂S₂)₂], the Ni^II ion adopts a distorted cis-NiS₂O₂ square-planar geometry arising from the two S,O-bidentate ligands. The thio­phene rings in each ligand are disordered, with site occupancy ratios of 0.874 (3):0.126 (3) and 0.741 (2):0.259 (2).

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean [sigma](C-C) = 0.004 Å
• Disorder in main residue
• R factor = 0.041
• wR factor = 0.090
• Data-to-parameter ratio = 15.1

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT301_ALERT_3_C Main Residue  Disorder .........................      22.00 Perc.

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         28

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   1 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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S1. Comment

The title compound, (I), was synthesized in the course of our studies of the thermochemical properties of thiocarbamate derivates in order to elucidate the binding process in complexes with transition metal ions (Ribeiro da Silva et al., 2007).

The ligand (N-2thienylcarbonylthiocarbamic-O-propylester) combines with the nickel(II) ion to from a tetra co-ordinated complex with an S₂O₂ co-ordination sphere in a cis configuration (Fig. 1, Table 1). The complex shows a slightly distortion to square planar geometry, where the maximum deviation of the atoms from the best plane formed by the five central atoms are: 0.043 (1), 0.053 (1), 0.043 (1), 0.053 (1) and 0.009 (1) Å, for S1, O1, S3 O3 and Ni1, respectively.

Otherwise, the bond lengths involving the ligands are within the range reported for similar complexes, derived from thioureas (Gomes et al., 2007; Emen et al., 2003); Binzet et al., 2003).

Related literature

For related literature, see: Gomes et al. (2007); Emen et al. (2003); Binzet et al. (2003). For the synthesis, see: Ribeiro da Silva et al. (2007). For reference structural data, see: Allen et al. (1987).

S2. Experimental

The preparation of the complex was been described elsewhere (Ribeiro da Silva et al., 2007). Brown plates of (I) were obtained allowing slow vaporization of a methanolic/dichloromethane (1:1) solution of the complex.

S3. Refinement

All the H atoms bonded to C atoms were refined with standard distances: 0.93 Å for aromatic and 0.98, 0.96 and 0.97 Å, for tertiary, secondary and primary aliphatic groups respectively, with Uiso(H) = 1.5Ueq(C) for methyl groups and with Uiso(H) = 1.2Ueq(C). The thiophene groups are disorded in both ligands by rotation through 180° about the pivot atoms C11 and C31.

The double and single C—C bonds of the thiophene residue were refined with the bond-length restraints 1.424 (1) and 1.362 (1) Å respectively and the S—C bond length value was assigned to be 1.712 (1) Å.

The S atoms in the disordered groups were refined isotropically with the anisotropic temperature factor of the minor component constrained to that of the respective major components by means of the EADP instruction (Sheldrick, 1997). The carbon atoms of the major (parts A) components were refined anisotropically with their anisotropic temperature factors constained to that of the pivot atoms C11 and C31, respectively, for each group by means of the EADP instruction (Sheldrick, 1997). The carbon atoms of the minor components, (parts B), were refined isotropically with U common U values defined by free variables, (Sheldrick, 1997), for each group.

Computing details

Data collection: APEX2 (Bruker, 2004); cell refinement: APEX2 (Bruker, 2004) and SAINT (Bruker, 2004); data reduction: SAINT (Bruker, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976) and PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).

Figures

Fig. 1. The molecular structure of (I). Displacement ellipsoids are drawn at the 30% probability level (arbitrary spheres for the H atoms). Only the major disorder components of the thiophene rings are shown.

Bis[O-propyl N'-(2-thienylcarbonyl)thiocarbamato]nickel(II)

Crystal data

[Ni(C9H10NO2S2)2]	V = 1097.40 (8) Å^3
Mr = 515.31	Z = 2
Triclinic, P1	F(000) = 532
Hall symbol: -P 1	Dx = 1.559 Mg m^−3
a = 7.2627 (3) Å	Mo Kα radiation, λ = 0.71073 Å
b = 10.2917 (4) Å	θ = 3.2–38.3°
c = 15.6218 (6) Å	µ = 1.29 mm^−1
α = 72.742 (2)°	T = 100 K
β = 80.847 (3)°	Plate, brown
γ = 82.978 (3)°	0.26 × 0.12 × 0.02 mm

Data collection

Bruker SMART APEX CCD diffractometer	3845 independent reflections
Radiation source: fine-focus sealed tube	2975 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.044
Detector resolution: 8.33 pixels mm^-1	θmax = 25.0°, θmin = 1.4°
ω scans	h = −8→8
Absorption correction: multi-scan (SADABS; Bruker, 2004)	k = −12→12
Tmin = 0.730, Tmax = 0.975	l = −18→18
10984 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.041	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.091	H-atom parameters constrained
S = 1.08	w = 1/[σ^2(Fo^2) + (0.0354P)^2 + 0.6558P] where P = (Fo^2 + 2Fc^2)/3
3845 reflections	(Δ/σ)max = 0.005
254 parameters	Δρmax = 0.47 e Å^−3
28 restraints	Δρmin = −0.50 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Ni1	0.51058 (7)	0.10730 (4)	0.74876 (3)	0.01716 (14)
S1	0.62325 (14)	0.29040 (8)	0.66089 (6)	0.0231 (2)
O1	0.5852 (3)	0.0037 (2)	0.66876 (15)	0.0202 (6)
O21	0.7603 (3)	0.3728 (2)	0.49805 (15)	0.0214 (6)
C2	0.7036 (5)	0.2589 (3)	0.5591 (2)	0.0190 (8)
C1	0.6648 (5)	0.0293 (3)	0.5886 (2)	0.0182 (8)
C22	0.8974 (5)	0.5022 (3)	0.3542 (2)	0.0238 (9)
H22A	0.9868	0.5291	0.3845	0.029*
H22B	0.7893	0.5681	0.3509	0.029*
C23	0.9853 (6)	0.5022 (4)	0.2594 (2)	0.0318 (10)
H23A	1.0225	0.5917	0.2265	0.048*
H23B	0.8960	0.4773	0.2291	0.048*
H23C	1.0930	0.4376	0.2626	0.048*
C21	0.8384 (5)	0.3631 (3)	0.4076 (2)	0.0199 (8)
H21A	0.7452	0.3364	0.3794	0.024*
H21B	0.9451	0.2959	0.4110	0.024*
C11	0.7005 (5)	−0.08429 (18)	0.54975 (17)	0.0199 (5)
S11A	0.63615 (19)	−0.24368 (11)	0.61030 (8)	0.0215 (3)	0.874 (3)
C12A	0.7804 (7)	−0.0818 (4)	0.4644 (2)	0.0199 (5)	0.874 (3)
H12A	0.8240	−0.0036	0.4221	0.024*	0.874 (3)
C13A	0.7911 (7)	−0.2100 (3)	0.4457 (3)	0.0199 (5)	0.874 (3)
H13A	0.8414	−0.2261	0.3909	0.024*	0.874 (3)
C14A	0.7169 (7)	−0.3057 (4)	0.51981 (19)	0.0199 (5)	0.874 (3)
H14A	0.7107	−0.3960	0.5211	0.024*	0.874 (3)
S11B	0.8057 (14)	−0.0619 (8)	0.4409 (3)	0.0215 (3)	0.126 (3)
C12B	0.653 (4)	−0.2138 (12)	0.593 (2)	0.025 (6)*	0.126 (3)
H12B	0.5967	−0.2367	0.6527	0.030*	0.126 (3)
C13B	0.693 (5)	−0.313 (3)	0.5443 (17)	0.025 (6)*	0.126 (3)
H13B	0.6715	−0.4051	0.5614	0.030*	0.126 (3)
C14B	0.772 (4)	−0.2315 (11)	0.465 (2)	0.025 (6)*	0.126 (3)
H14B	0.8128	−0.2721	0.4184	0.030*	0.126 (3)
S3	0.40865 (14)	0.22063 (8)	0.84354 (6)	0.0237 (2)
O3	0.4300 (3)	−0.0572 (2)	0.82358 (14)	0.0200 (6)
C31	0.3188 (5)	−0.2395 (2)	0.93802 (15)	0.0194 (6)
S31A	0.3791 (3)	−0.34726 (14)	0.87133 (10)	0.0214 (3)	0.741 (2)
C32A	0.2338 (8)	−0.3073 (4)	1.0208 (2)	0.0194 (6)	0.741 (2)
H32A	0.1934	−0.2651	1.0662	0.023*	0.741 (2)
C33A	0.2111 (10)	−0.4474 (4)	1.0330 (4)	0.0194 (6)	0.741 (2)
H33A	0.1540	−0.5067	1.0850	0.023*	0.741 (2)
C34A	0.2871 (9)	−0.4801 (4)	0.9558 (3)	0.0194 (6)	0.741 (2)
H34A	0.2888	−0.5673	0.9495	0.023*	0.741 (2)
S31B	0.2082 (7)	−0.3039 (4)	1.04503 (19)	0.0214 (3)	0.259 (2)
C32B	0.361 (3)	−0.3334 (13)	0.8907 (10)	0.026 (3)*	0.259 (2)
H32B	0.4224	−0.3112	0.8319	0.031*	0.259 (2)
C33B	0.307 (3)	−0.4676 (17)	0.9362 (9)	0.026 (3)*	0.259 (2)
H33B	0.3228	−0.5442	0.9150	0.031*	0.259 (2)
C34B	0.226 (3)	−0.4553 (11)	1.0185 (11)	0.026 (3)*	0.259 (2)
H34B	0.1793	−0.5315	1.0617	0.031*	0.259 (2)
C41	0.1610 (5)	0.0915 (3)	1.0900 (2)	0.0192 (8)
H41A	0.2414	0.0125	1.1172	0.023*
H41B	0.0475	0.0603	1.0802	0.023*
N1	0.7199 (4)	0.1486 (3)	0.53306 (17)	0.0187 (7)
C3	0.3537 (5)	−0.0960 (3)	0.9041 (2)	0.0160 (8)
C42	0.1151 (5)	0.1831 (3)	1.1506 (2)	0.0216 (8)
H42A	0.0396	0.2638	1.1215	0.026*
H42B	0.2298	0.2121	1.1609	0.026*
C4	0.3167 (5)	0.1082 (3)	0.9416 (2)	0.0171 (8)
O41	0.2562 (3)	0.1712 (2)	1.00466 (14)	0.0190 (6)
N2	0.2979 (4)	−0.0229 (3)	0.96285 (17)	0.0195 (7)
C43	0.0080 (5)	0.1084 (4)	1.2414 (2)	0.0241 (8)
H43A	−0.0199	0.1683	1.2794	0.036*
H43B	0.0834	0.0291	1.2705	0.036*
H43C	−0.1065	0.0811	1.2312	0.036*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ni1	0.0219 (3)	0.0141 (2)	0.0156 (2)	−0.00209 (18)	−0.00078 (19)	−0.00487 (17)
S1	0.0335 (6)	0.0172 (4)	0.0190 (4)	−0.0064 (4)	0.0037 (4)	−0.0076 (4)
O1	0.0266 (15)	0.0154 (12)	0.0189 (12)	−0.0022 (10)	0.0002 (11)	−0.0068 (10)
O21	0.0305 (16)	0.0152 (12)	0.0180 (12)	−0.0039 (11)	0.0031 (11)	−0.0062 (10)
C2	0.019 (2)	0.0184 (18)	0.0196 (18)	−0.0020 (15)	−0.0009 (16)	−0.0057 (15)
C1	0.014 (2)	0.0219 (19)	0.0187 (18)	−0.0022 (15)	−0.0032 (15)	−0.0054 (15)
C22	0.030 (2)	0.0208 (19)	0.0189 (18)	−0.0019 (16)	0.0048 (17)	−0.0068 (15)
C23	0.038 (3)	0.030 (2)	0.023 (2)	0.0001 (19)	0.0012 (19)	−0.0043 (17)
C21	0.024 (2)	0.0225 (18)	0.0132 (17)	−0.0017 (16)	−0.0003 (15)	−0.0067 (14)
C11	0.0226 (13)	0.0200 (11)	0.0177 (11)	−0.0006 (9)	−0.0023 (10)	−0.0069 (10)
S11A	0.0269 (7)	0.0161 (5)	0.0221 (7)	−0.0030 (5)	−0.0020 (5)	−0.0064 (5)
C12A	0.0226 (13)	0.0200 (11)	0.0177 (11)	−0.0006 (9)	−0.0023 (10)	−0.0069 (10)
C13A	0.0226 (13)	0.0200 (11)	0.0177 (11)	−0.0006 (9)	−0.0023 (10)	−0.0069 (10)
C14A	0.0226 (13)	0.0200 (11)	0.0177 (11)	−0.0006 (9)	−0.0023 (10)	−0.0069 (10)
S11B	0.0269 (7)	0.0161 (5)	0.0221 (7)	−0.0030 (5)	−0.0020 (5)	−0.0064 (5)
S3	0.0360 (6)	0.0155 (4)	0.0179 (4)	−0.0037 (4)	0.0035 (4)	−0.0051 (4)
O3	0.0262 (15)	0.0160 (12)	0.0172 (12)	−0.0031 (10)	0.0023 (11)	−0.0058 (10)
C31	0.0241 (15)	0.0174 (11)	0.0166 (13)	−0.0034 (9)	−0.0008 (11)	−0.0048 (9)
S31A	0.0275 (8)	0.0163 (6)	0.0212 (7)	−0.0031 (5)	−0.0008 (6)	−0.0070 (5)
C32A	0.0241 (15)	0.0174 (11)	0.0166 (13)	−0.0034 (9)	−0.0008 (11)	−0.0048 (9)
C33A	0.0241 (15)	0.0174 (11)	0.0166 (13)	−0.0034 (9)	−0.0008 (11)	−0.0048 (9)
C34A	0.0241 (15)	0.0174 (11)	0.0166 (13)	−0.0034 (9)	−0.0008 (11)	−0.0048 (9)
S31B	0.0275 (8)	0.0163 (6)	0.0212 (7)	−0.0031 (5)	−0.0008 (6)	−0.0070 (5)
C41	0.021 (2)	0.0180 (17)	0.0182 (18)	−0.0049 (15)	0.0020 (16)	−0.0048 (14)
N1	0.0218 (18)	0.0182 (15)	0.0168 (15)	−0.0011 (13)	−0.0005 (13)	−0.0073 (12)
C3	0.0109 (19)	0.0192 (17)	0.0183 (18)	0.0004 (14)	−0.0053 (15)	−0.0049 (14)
C42	0.023 (2)	0.0211 (18)	0.0221 (19)	−0.0031 (15)	−0.0035 (16)	−0.0067 (15)
C4	0.016 (2)	0.0193 (18)	0.0180 (17)	0.0000 (14)	−0.0014 (15)	−0.0088 (14)
O41	0.0252 (15)	0.0151 (12)	0.0165 (12)	−0.0045 (10)	0.0020 (11)	−0.0054 (10)
N2	0.0259 (19)	0.0161 (15)	0.0175 (15)	−0.0018 (13)	−0.0001 (13)	−0.0077 (12)
C43	0.024 (2)	0.028 (2)	0.0210 (18)	−0.0015 (16)	−0.0015 (16)	−0.0092 (15)

Geometric parameters (Å, º)

Ni1—O1	1.851 (2)	C13B—H13B	0.9300
Ni1—O3	1.851 (2)	C14B—H14B	0.9300
Ni1—S3	2.1368 (10)	S3—C4	1.715 (3)
Ni1—S1	2.1424 (9)	O3—C3	1.259 (4)
S1—C2	1.715 (3)	C31—C32B	1.3619 (10)
O1—C1	1.258 (4)	C31—C32A	1.3623 (10)
O21—C2	1.335 (4)	C31—C3	1.453 (4)
O21—C21	1.464 (4)	C31—S31B	1.7104 (10)
C2—N1	1.302 (4)	C31—S31A	1.7117 (10)
C1—N1	1.341 (4)	S31A—C34A	1.7113 (10)
C1—C11	1.449 (4)	C32A—C33A	1.4237 (10)
C22—C21	1.502 (4)	C32A—H32A	0.9300
C22—C23	1.516 (5)	C33A—C34A	1.3618 (10)
C22—H22A	0.9700	C33A—H33A	0.9300
C22—H22B	0.9700	C34A—H34A	0.9300
C23—H23A	0.9600	S31B—C34B	1.7120 (10)
C23—H23B	0.9600	C32B—C33B	1.4239 (10)
C23—H23C	0.9600	C32B—H32B	0.9300
C21—H21A	0.9700	C33B—C34B	1.3618 (10)
C21—H21B	0.9700	C33B—H33B	0.9300
C11—C12A	1.3617 (10)	C34B—H34B	0.9300
C11—C12B	1.3619 (10)	C41—O41	1.458 (4)
C11—S11B	1.7110 (10)	C41—C42	1.498 (5)
C11—S11A	1.7119 (10)	C41—H41A	0.9700
S11A—C14A	1.7115 (10)	C41—H41B	0.9700
C12A—C13A	1.4236 (10)	C3—N2	1.337 (4)
C12A—H12A	0.9300	C42—C43	1.536 (4)
C13A—C14A	1.3618 (10)	C42—H42A	0.9700
C13A—H13A	0.9300	C42—H42B	0.9700
C14A—H14A	0.9300	C4—N2	1.310 (4)
S11B—C14B	1.7121 (10)	C4—O41	1.325 (4)
C12B—C13B	1.4239 (10)	C43—H43A	0.9600
C12B—H12B	0.9300	C43—H43B	0.9600
C13B—C14B	1.3620 (10)	C43—H43C	0.9600
O1—Ni1—O3	82.18 (9)	C13B—C14B—H14B	116.6
O1—Ni1—S3	176.43 (8)	S11B—C14B—H14B	116.6
O3—Ni1—S3	95.16 (7)	C4—S3—Ni1	107.56 (12)
O1—Ni1—S1	95.46 (7)	C3—O3—Ni1	134.2 (2)
O3—Ni1—S1	175.91 (8)	C32B—C31—C32A	105.8 (8)
S3—Ni1—S1	87.33 (4)	C32B—C31—C3	125.9 (7)
C2—S1—Ni1	106.78 (12)	C32A—C31—C3	128.3 (2)
C1—O1—Ni1	133.9 (2)	C32B—C31—S31B	113.5 (7)
C2—O21—C21	117.4 (2)	C3—C31—S31B	120.5 (2)
N1—C2—O21	117.4 (3)	C32A—C31—S31A	110.4 (2)
N1—C2—S1	132.4 (3)	C3—C31—S31A	121.32 (19)
O21—C2—S1	110.2 (2)	S31B—C31—S31A	118.11 (19)
O1—C1—N1	128.8 (3)	C34A—S31A—C31	91.1 (2)
O1—C1—C11	116.3 (3)	C31—C32A—C33A	115.4 (4)
N1—C1—C11	114.9 (3)	C31—C32A—H32A	122.3
C21—C22—C23	110.7 (3)	C33A—C32A—H32A	122.3
C21—C22—H22A	109.5	C34A—C33A—C32A	108.6 (5)
C23—C22—H22A	109.5	C34A—C33A—H33A	125.7
C21—C22—H22B	109.5	C32A—C33A—H33A	125.7
C23—C22—H22B	109.5	C33A—C34A—S31A	114.4 (4)
H22A—C22—H22B	108.1	C33A—C34A—H34A	122.8
C22—C23—H23A	109.5	S31A—C34A—H34A	122.8
C22—C23—H23B	109.5	C31—S31B—C34B	85.6 (6)
H23A—C23—H23B	109.5	C31—C32B—C33B	116.5 (13)
C22—C23—H23C	109.5	C31—C32B—H32B	121.8
H23A—C23—H23C	109.5	C33B—C32B—H32B	121.8
H23B—C23—H23C	109.5	C34B—C33B—C32B	102.4 (16)
O21—C21—C22	106.6 (3)	C34B—C33B—H33B	128.8
O21—C21—H21A	110.4	C32B—C33B—H33B	128.8
C22—C21—H21A	110.4	C33B—C34B—S31B	122.1 (14)
O21—C21—H21B	110.4	C33B—C34B—H34B	119.0
C22—C21—H21B	110.4	S31B—C34B—H34B	119.0
H21A—C21—H21B	108.6	O41—C41—C42	107.0 (3)
C12A—C11—C12B	107.6 (15)	O41—C41—H41A	110.3
C12A—C11—C1	127.3 (2)	C42—C41—H41A	110.3
C12B—C11—C1	125.0 (15)	O41—C41—H41B	110.3
C12B—C11—S11B	114.3 (15)	C42—C41—H41B	110.3
C1—C11—S11B	120.7 (3)	H41A—C41—H41B	108.6
C12A—C11—S11A	111.4 (2)	C2—N1—C1	122.2 (3)
C1—C11—S11A	121.3 (2)	O3—C3—N2	129.0 (3)
S11B—C11—S11A	118.0 (3)	O3—C3—C31	115.8 (3)
C14A—S11A—C11	91.11 (18)	N2—C3—C31	115.2 (3)
C11—C12A—C13A	113.8 (3)	C41—C42—C43	110.5 (3)
C11—C12A—H12A	123.1	C41—C42—H42A	109.5
C13A—C12A—H12A	123.1	C43—C42—H42A	109.5
C14A—C13A—C12A	110.2 (4)	C41—C42—H42B	109.5
C14A—C13A—H13A	124.9	C43—C42—H42B	109.5
C12A—C13A—H13A	124.9	H42A—C42—H42B	108.1
C13A—C14A—S11A	113.5 (3)	N2—C4—O41	117.5 (3)
C13A—C14A—H14A	123.2	N2—C4—S3	131.7 (3)
S11A—C14A—H14A	123.2	O41—C4—S3	110.7 (2)
C11—S11B—C14B	82.7 (11)	C4—O41—C41	117.4 (2)
C11—C12B—C13B	118 (3)	C4—N2—C3	122.3 (3)
C11—C12B—H12B	121.0	C42—C43—H43A	109.5
C13B—C12B—H12B	121.0	C42—C43—H43B	109.5
C14B—C13B—C12B	98 (3)	H43A—C43—H43B	109.5
C14B—C13B—H13B	131.0	C42—C43—H43C	109.5
C12B—C13B—H13B	131.0	H43A—C43—H43C	109.5
C13B—C14B—S11B	127 (2)	H43B—C43—H43C	109.5